Mrv0541 10011411362D          

 21 23  0  0  0  0            999 V2000
    6.2886   -7.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723   -7.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9966   -6.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -7.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723   -6.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601   -7.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601   -6.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7129   -6.5010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7170   -7.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -8.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4251   -6.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5765   -8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480   -6.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -5.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438   -7.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372   -6.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8494   -6.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1247   -4.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452   -5.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
  9 12  1  6  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
  4  9  1  0  0  0  0
  8  6  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
> <ID>
CHEBI:70664

> <NAME>
(2S)-5,7-dihydroxy-6,8-dimethylflavanone

> <DEFINITION>
A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.

> <STAR>
3

> <SYNONYM>
demethoxymatteucinol; 6,8-dimethylpinocembrin; (2S)-2,3-dihydro-5,7-dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one; (-)-demethoxymatteucinol

> <IUPAC_NAME>
(2S)-5,7-dihydroxy-6,8-dimethyl-2-phenyl-2,3-dihydro-4H-chromen-4-one

> <FORMULA>
C17H16O4

> <MASS>
284.30650

> <MONOISOTOPIC_MASS>
284.10486

> <CHARGE>
0

> <SMILES>
Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1

> <INCHI>
InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1

> <INCHIKEY>
HAIHGFWQOPJMPV-ZDUSSCGKSA-N

> <CAS_REGISTRY_NUMBER>
56297-79-1

> <REAXYS_REGISTRY_NUMBER>
1290952

> <CHEMIDPLUS>
56297-79-1

> <PUBMED_CITATION>
20886838

$$$$